SPEAR: self-supervised post-training enhancer for molecule optimization.
Tianfan FuCao XiaoKexin HuangLucas M. GlassJimeng SunPublished in: BCB (2021)
Keyphrases
- optimization algorithm
- optimization problems
- training process
- global optimization
- joint optimization
- stochastic gradient descent
- online learning
- optimization method
- optimization methods
- optimization process
- optimization strategies
- real time
- feedforward neural networks
- quadratic programming
- optimal design
- optimization procedure
- supervised learning
- multi objective
- evolutionary algorithm
- search algorithm
- training data
- case study
- website
- computer vision